ChemSpider 2D Image | 15(S)-HETrE | C20H34O3

15(S)-HETrE

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID29341691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8Z,11Z,13E,15R)-15-Hydroxy-8,11,13-icosatrienoic acid [ACD/IUPAC Name]
(8Z,11Z,13E,15R)-15-Hydroxy-8,11,13-icosatriensäure [German] [ACD/IUPAC Name]
15(S)-HETrE
8,11,13-Eicosatrienoic acid, 15-hydroxy-, (8Z,11Z,13E,15R)- [ACD/Index Name]
92693-02-2 [RN]
Acide (8Z,11Z,13E,15R)-15-hydroxy-8,11,13-icosatriénoïque [French] [ACD/IUPAC Name]
15S-hydroxy-8Z,11Z,13E-eicosatrienoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 487.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 262.7±23.8 °C
Index of Refraction: 1.502
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1870.32
ACD/KOC (pH 5.5): 4528.34
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 29.97
ACD/KOC (pH 7.4): 72.56
Polar Surface Area: 58 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

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